| CAS Number | 71082-55-8 |
| Catalog Number | AG00IC4Y |
| Chemical Name | 8-Methylquinoline-3-carboxylic acid |
| IUPAC Name | 8-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(11(13)14)6-12-10(7)8/h2-6H,1H3,(H,13,14) |
| InChI Key | IKQVXJGBIGBKNW-UHFFFAOYSA-N |
| MDL Number | MFCD08437582 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | CC1=C2C(C=C(C(O)=O)C=N2)=CC=C1 |
| Synonyms | 8-Methyl-quinoline-3-carboxylic acid,
8-METHYLQUINOLINE-3-CARBOXYLIC ACID,
71082-55-8,
SCHEMBL9023423,
CHEMBL3228139,
CTK8F7432,
DTXSID60588894,
QU129,
FCH836303,
MFCD08437582,
ZINC32099220,
AKOS006282337,
3-Quinolinecarboxylic acid, 8-methyl-,
AB45141,
OR307848,
DB-074375,
FT-0757966,
T6627,
8-Methyl-quinoline-3-carboxylic acid, AldrichCPR,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.198g/mol |
| Monoisotopic Mass | 187.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number